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88998-92-9 | Benzenamine, N-(3,3-dimethyl-1-phenylaziridinylidene)-
CAS No: 88998-92-9 Catalog No: AG0045LT MDL No:
Product Description
Catalog Number:
AG0045LT
Chemical Name:
Benzenamine, N-(3,3-dimethyl-1-phenylaziridinylidene)-
CAS Number:
88998-92-9
Molecular Formula:
C16H16N2
Molecular Weight:
236.3116
IUPAC Name:
3,3-dimethyl-N,1-diphenylaziridin-2-imine
InChI:
InChI=1S/C16H16N2/c1-16(2)15(17-13-9-5-3-6-10-13)18(16)14-11-7-4-8-12-14/h3-12H,1-2H3
InChI Key:
YYZJWKXYRUMENN-UHFFFAOYSA-N
SMILES:
CC1(C)C(=Nc2ccccc2)N1c1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.318g/mol
Monoisotopic Mass:
236.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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